7031-23-4

3-甲硫基丙酰氯(7031-23-4)质谱(MS)

产品名称:3-甲硫基丙酰氯

CAS:7031-23-4

分子式:C4H7ClOS

分子量: 138.62

InChI:InChI=1S/C4H7ClOS/c1-7-3-2-4(5)6/h2-3H2,1H3

InChIKey: NRHMXMBVLXSSAX-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCSC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9175          
3-(methylthio)propionyl chloride
C4H7ClOS            (Mass of molecular ion:    138)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.1
      25.0       1.4
      26.0       8.4
      27.0      46.6
      28.0       9.2
      29.0       1.7
      32.0       1.3
      35.0       8.8
      36.0      11.8
      37.0       1.2
      38.0       4.1
      39.0       1.4
      41.0      10.9
      42.0       1.5
      44.0       2.2
      45.0      23.2
      46.0      11.0
      47.0      25.0
      48.0       8.1
      49.0       5.6
      51.5       1.2
      53.0       1.5
      54.0       1.2
      55.0     100.0
      56.0       4.4
      57.0       2.8
      58.0       6.1
      59.0      11.1
      60.0       2.7
      61.0      55.0
      62.0       2.1
      63.0       7.1
      65.0       1.6
      73.0       1.5
      74.0      11.7
      75.0      32.3
      76.0       2.1
      77.0       1.5
      82.0       1.6
      91.0       2.0
      95.0       1.6
     101.0       1.0
     102.0      33.8
     103.0       8.3
     104.0       2.0
     138.0      22.8
     139.0       1.2
     140.0       8.3
     150.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₄ H₇ Cl O S	0.05 ml : 0.5 ml CDCl₃
3-(methylthio)propionyl chloride

    Assign.     Shift(ppm)

      A             3.210
      B             2.817
      C             2.155

     Hz     ppm     Int.

   1289.92   3.228    556
   1286.25   3.219     59
   1282.84   3.210   1000
   1278.69   3.200     53
   1275.63   3.192    641
   1133.06   2.836    138
   1126.22   2.819    205
   1119.51   2.802    117
    861.21   2.155    521

in CDCl3